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SMILES: CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br

InChI Key: InChIKey=ZCLLRMAUZWJJOZ-PSASIEDQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50233596   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50233596 (CHEMBL4068066) Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r| Show InChI InChI=1S/C15H18Br2O4/c1-4-21-15(18)10-6-8(10)5-9-7-11(19-2)14(20-3)13(17)12(9)16/h7-8,10H,4-6H2,1-3H3/t8-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA1 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method				J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50233596 (CHEMBL4068066) Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r| Show InChI InChI=1S/C15H18Br2O4/c1-4-21-15(18)10-6-8(10)5-9-7-11(19-2)14(20-3)13(17)12(9)16/h7-8,10H,4-6H2,1-3H3/t8-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA2 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method				J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50233596 (CHEMBL4068066) Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r| Show InChI InChI=1S/C15H18Br2O4/c1-4-21-15(18)10-6-8(10)5-9-7-11(19-2)14(20-3)13(17)12(9)16/h7-8,10H,4-6H2,1-3H3/t8-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow CO2 hydration method				J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50233596 (CHEMBL4068066) Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r| Show InChI InChI=1S/C15H18Br2O4/c1-4-21-15(18)10-6-8(10)5-9-7-11(19-2)14(20-3)13(17)12(9)16/h7-8,10H,4-6H2,1-3H3/t8-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow CO2 hydration method				J Med Chem 58: 640-50 (2015) BindingDB Entry DOI: 10.7270/Q2PR7Z6B
					More data for this Ligand-Target Pair